N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 60959373

IUPACN-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16(3)8-11-4-6-12(17)7-5-11/h4-7,17H,8H2,1-3H3,(H,14,15)
InChIKeyLVODOVZKFGHTRS-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.55
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60959373) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60959373
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16(3)8-11-4-6-12(17)7-5-11/h4-7,17H,8H2,1-3H3,(H,14,15)
InChIKeyLVODOVZKFGHTRS-UHFFFAOYSA-N
XLogP1.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 60959373) is N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LVODOVZKFGHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16(3)8-11-4-6-12(17)7-5-11/h4-7,17H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).